SCHEMBL9683418

SCHEMBL9683418

Cc1ccc(S(=O)(=O)N(C)c2cccc(N(C)c3ccc(N(C)c4ccccc4)cc3)c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.71
CA9 Q16790 1/20 0.71
NPSR1 Q6W5P4 2/20 0.65
HTT P42858 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
MAPT P10636 4/20 0.63
MCOLN3 Q8TDD5 1/20 0.63
C5AR1 P21730 2/20 0.59
ALDH1A1 P00352 3/20 0.50
LMNA P02545 1/20 0.50
NR1H3 Q13133 1/20 0.48
HSD17B1 P14061 1/20 0.48
HSD17B2 P37059 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CNR2 P34972 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3822617 0.84 CA12 (1.00) CA12CA9NPSR1HTTL3MBTL1
SCHEMBL11910521 0.81 CA12 (0.86) CA12CA9NPSR1HTTL3MBTL1
SCHEMBL10212263 0.80 CA12 (0.67) CA12CA9NPSR1HTTL3MBTL1
SCHEMBL9683412 0.79 MCOLN3 (0.49) CA12CA9NPSR1HTTL3MBTL1
SCHEMBL6295701 0.79 HSD17B1 (0.74) CA12CA9NPSR1HTTL3MBTL1
SCHEMBL2008337 0.79 MAPT (1.00) CA12CA9NPSR1HTTL3MBTL1
SCHEMBL9480276 0.77 CA12 (0.65) CA12CA9HTTMAPTALDH1A1
SCHEMBL9683391 0.76 ALDH1A1 (0.48) CA12CA9NPSR1HTTL3MBTL1
SCHEMBL14465442 0.76 ALDH1A1 (0.41) CA12CA9NPSR1L3MBTL1MAPT
SCHEMBL3050460 0.75 TSHR (0.55) CA12CA9NPSR1HTTMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0479578-A1 Color-forming recording material MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-04-08 EP disclosed